6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide

C11H16N4OS — CID 83016173

IUPAC6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NN2CCOCC2)n1
InChIInChI=1S/C11H16N4OS/c1-8-2-3-9(10(12)17)11(13-8)14-15-4-6-16-7-5-15/h2-3H,4-7H2,1H3,(H2,12,17)(H,13,14)
InChIKeyMFWBZPPTVXWHOV-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.68
Rot. Bonds3

About 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide

6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide (PubChem CID 83016173) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide
PubChem CID83016173
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NN2CCOCC2)n1
InChIInChI=1S/C11H16N4OS/c1-8-2-3-9(10(12)17)11(13-8)14-15-4-6-16-7-5-15/h2-3H,4-7H2,1H3,(H2,12,17)(H,13,14)
InChIKeyMFWBZPPTVXWHOV-UHFFFAOYSA-N
XLogP0.68
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide (CID 83016173) is 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(NN2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide?
The InChIKey is MFWBZPPTVXWHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-2-3-9(10(12)17)11(13-8)14-15-4-6-16-7-5-15/h2-3H,4-7H2,1H3,(H2,12,17)(H,13,14).
What are the key properties of 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide?
6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide has a molecular weight of 252.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 83016173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).